Proton affinities of simple organic compounds

Wróblewski, Tomasz; Ziemczonek, L.; Karwasz, Grzegorz P.

doi:10.1007/s10582-006-0335-8

Cited by 15 publications

(18 citation statements)

References 13 publications

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“…Petrol and diesel fuel samples were collected from an Indian Oil fuel station in Pusa, New Delhi, and the headspace was analysed to allow for comparison of benzene-to-toluene ratios. This method was designed to analyse the ratios in evaporative emissions, as these have been shown to be an important source of atmospheric NMVOCs (Srivastava et al, 2005;Rubin et al, 2006;Yamada et al, 2015), which for example represented ∼ 15 % of anthropogenic UK NMVOC emissions in 2018 (Lewis et al, 2020). Fuel samples were placed in a small metal container (1/4 in.…”

Section: Ptr-tof-msmentioning

confidence: 99%

“…The total measured emission factor has been calculated as the sum of the PTR-ToF-MS signal, excluding reagent ion peaks (< m/z 31 Th), water cluster peaks (m/z 37 Th) and isotope peaks identified for all masses (SIS, 2016). The emission factors for all alkanes and alkenes measured by the GC instruments were also included, as alkanes up to n-hexane had proton affinities less than water and larger alkanes had proton affinities similar to water (Ellis and Mayhew, 2014;Wróblewski et al, 2006). This low sensitivity meant that no peaks were present in the PTR-ToF-MS spectra for these larger species.…”

Section: Nmvoc Emission Factors From Biomass Fuelsmentioning

confidence: 99%

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Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India

et al. 2021

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Abstract. Twenty-nine different fuel types used in residential dwellings in northern India were collected from across Delhi (76 samples in total). Emission factors of a wide range of non-methane volatile organic compounds (NMVOCs) (192 compounds in total) were measured during controlled burning experiments using dual-channel gas chromatography with flame ionisation detection (DC-GC-FID), two-dimensional gas chromatography (GC × GC-FID), proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS) and solid-phase extraction two-dimensional gas chromatography with time-of-flight mass spectrometry (SPE-GC × GC–ToF-MS). On average, 94 % speciation of total measured NMVOC emissions was achieved across all fuel types. The largest contributors to emissions from most fuel types were small non-aromatic oxygenated species, phenolics and furanics. The emission factors (in g kg−1) for total gas-phase NMVOCs were fuelwood (18.7, 4.3–96.7), cow dung cake (62.0, 35.3–83.0), crop residue (37.9, 8.9–73.8), charcoal (5.4, 2.4–7.9), sawdust (72.4, 28.6–115.5), municipal solid waste (87.3, 56.6–119.1) and liquefied petroleum gas (5.7, 1.9–9.8). The emission factors measured in this study allow for better characterisation, evaluation and understanding of the air quality impacts of residential solid-fuel combustion in India.

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Section: Ptr-tof-msmentioning

confidence: 99%

Section: Nmvoc Emission Factors From Biomass Fuelsmentioning

confidence: 99%

Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India

et al. 2021

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“…In the case of lower alkanes such as methane or ethane, analyte peaks were not observed when dried air was used as a carrier gas. This observation results from their having lower proton affinity (PA) values than that of water (691 kJ/mol), which for the simplest alkanes are as follows: methane, 534.5 kJ/mol; ethane, 593.3 kJ/mol; propane, 625.7 kJ/mol; pentane, 662 kJ/mol [ 33 ]; and decane, 691 kJ/mol [ 34 ]. The obtained results clearly indicate that the application of a carrier gas other than dried air is necessary; the replacement of dried air with nitrogen proved this point (proton affinity 494 kJ/mol), enabling the detection of methane at the level of 0.05% ( v / v ), observed for both positive and negative ions.…”

Section: Resultsmentioning

confidence: 99%

Detection and Identification of VOCs Using Differential Ion Mobility Spectrometry (DMS)

et al. 2021

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The article presents a technique of differential ion mobility spectrometry (DMS) applicable to the detection and identification of volatile organic compounds (VOCs) from such categories as n-alkanes, alcohols, acetate esters, ketones, botulinum toxin, BTX, and fluoro- and chloro-organic compounds. A possibility of mixture identification using only the DMS spectrometer is analyzed, and several examples are published for the first time. An analysis of different compounds and their mechanisms of fragmentation, influence on effective ion temperature, and high electric field intensity is discussed.

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“…The acetone residues reduced the detection capability of the DMS detector. The PA for acetone is 812 kJ/mol [ 38 ], which is lower than the PA of the added ammonia (853.6 kJ/mol [ 39 ]); therefore, the use of ammonium as an admixture in the carrier gas will help to reduce the appearance of acetone peaks. When detecting improvised explosives using differential ion mobility spectrometry, the carrier gas should be doped with a minimum of 200 ppb NH 3 to reduce the effect of acetone (TATP contamination).…”

Section: Discussionmentioning

confidence: 99%

Detection of Triacetone Triperoxide (TATP) and Hexamethylene Triperoxide Diamine (HMTD) from the Gas Phase with Differential Ion Mobility Spectrometry (DMS)

Maziejuk

Szyposzyńska

Spławska

et al. 2021

Sensors

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One of the significant problems in the modern world is the detection of improvised explosives made of materials synthesized at home. Such compounds include triacetone triperoxide (TATP) and hexamethylene triperoxide diamine (HMTD). An attempt was made to construct an instrument allowing for the simultaneous detection of both compounds despite the large difference of vapor pressure: very high for TATP and very low for HMTD. The developed system uses differential ion mobility spectrometry (DMS) in combination with a specially designed gas sample injection system. The created system of detectors allowed for the detection of a high concentration of TATP and a very low concentration of HMTD. TATP detection was possible despite the presence of impurities—acetone remaining from the technological process and formed as a coproduct of diacetone diperoxide (DADP) synthesis. Ammonia added to the carrier gas improved the possibility of detecting the abovementioned explosives, reducing the intensity of the acetone signal. The obtained results were then compared with the detection capabilities of drift tube ion mobility spectrometer (DT-IMS), which has not made possible such detection as DMS.

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Proton affinities of simple organic compounds

Cited by 15 publications

References 13 publications

Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India

Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India

Detection and Identification of VOCs Using Differential Ion Mobility Spectrometry (DMS)

Detection of Triacetone Triperoxide (TATP) and Hexamethylene Triperoxide Diamine (HMTD) from the Gas Phase with Differential Ion Mobility Spectrometry (DMS)

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